tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate

C26H49NO3Sn — CID 10973571

IUPACtert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](OC[Sn](CCCC)(CCCC)CCCC)C1
InChIInChI=1S/C14H22NO3.3C4H9.Sn/c1-6-9-15(13(16)18-14(2,3)4)11-7-8-12(10-11)17-5;3*1-3-4-2;/h6-8,11-12H,1,5,9-10H2,2-4H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1
InChIKeyDLGZXQWWCDCMDC-RDKDOERDSA-N
MW542.39 g/mol
LogP7.51
Rot. Bonds15

About tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate

tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate (PubChem CID 10973571) has the molecular formula C26H49NO3Sn and a molecular weight of 542.39 g/mol. Its IUPAC name is tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
PubChem CID10973571
Molecular FormulaC26H49NO3Sn
Molecular Weight542.39 g/mol
Exact Mass543.27
IUPAC Nametert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](OC[Sn](CCCC)(CCCC)CCCC)C1
InChIInChI=1S/C14H22NO3.3C4H9.Sn/c1-6-9-15(13(16)18-14(2,3)4)11-7-8-12(10-11)17-5;3*1-3-4-2;/h6-8,11-12H,1,5,9-10H2,2-4H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1
InChIKeyDLGZXQWWCDCMDC-RDKDOERDSA-N
XLogP7.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.39
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 57399841
tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 10977532
tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 11096697
tert-butyl (2S)-2-[(E)-3-methoxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 12046406
[(1S,4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 21027492
(1S-cis)-4-(di-tert-butoxycarbonylamino)cyclopent-2-enyl acetate
CID 69546006
tert-butyl (2S)-2-(3-methoxyprop-1-enyl)pyrrolidine-1-carboxylate
CID 90996176
tert-butyl 2-[(E)-3-methoxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 130003655
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 144515499
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate;ethane
CID 144515505
tert-butyl N-hydroxy-N-[(1R,4R)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 10489583
tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 10657027

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate (CID 10973571) is tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate is C=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](OC[Sn](CCCC)(CCCC)CCCC)C1.
What is the InChIKey of tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate?
The InChIKey is DLGZXQWWCDCMDC-RDKDOERDSA-N. The full InChI is InChI=1S/C14H22NO3.3C4H9.Sn/c1-6-9-15(13(16)18-14(2,3)4)11-7-8-12(10-11)17-5;3*1-3-4-2;/h6-8,11-12H,1,5,9-10H2,2-4H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1.
What are the key properties of tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate has a molecular weight of 542.39 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 10973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).